Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27927942 | 0.95 | GRIN1 (0.51) | GRIN1GRIN2BSIGMAR1DRD2AKR1C3 | |
| SCHEMBL1948750 | 0.85 | GRIN1 (0.48) | GRIN1GRIN2BDRD2AKR1C3DPP7 | |
| SCHEMBL6500851 | 0.80 | ALDH1A1 (0.59) | GRIN1GRIN2BSIGMAR1DRD2ABCB1 | |
| SCHEMBL14558962 | 0.80 | DRD2 (0.54) | GRIN1GRIN2BSIGMAR1DRD2AKR1C3 | |
| SCHEMBL21412698 | 0.80 | SIGMAR1 (0.52) | GRIN1GRIN2BSIGMAR1DRD2ALDH1A1 | |
| SCHEMBL27967240 | 0.79 | ALDH1A1 (0.36) | SIGMAR1ALDH1A1GAAMAPK1 | |
| SCHEMBL14879191 | 0.79 | GRIN1 (0.54) | GRIN1GRIN2BSIGMAR1DRD2AKR1C3 | |
| SCHEMBL2062427 | 0.79 | ALDH1A1 (0.50) | GRIN1GRIN2BDRD2DRD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7832755 | 0.78 | GRIN1 (0.53) | GRIN1GRIN2BSIGMAR1DRD2AKR1C3 | |
| SCHEMBL5599548 | 0.78 | NOTUM (0.56) | AKR1C3DPP7ALDH1A1MAPTSMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106065009-A | As the compound of hepatitis c inhibitor and the application in medicine thereof | 广东东阳光药业有限公司 | 2016-11-02 | — | — | CN | disclosed |